CID 2782757

4-(4-fluorophenoxy)benzenesulphonyl chloride

Structural Information

Molecular Formula
C12H8ClFO3S
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C12H8ClFO3S/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8H
InChIKey
PDAYRCHIAPCRRD-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

285.98666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99394 155.3
[M+Na]+ 308.97588 166.2
[M-H]- 284.97938 161.7
[M+NH4]+ 304.02048 172.5
[M+K]+ 324.94982 160.7
[M+H-H2O]+ 268.98392 148.7
[M+HCOO]- 330.98486 169.1
[M+CH3COO]- 345.00051 193.4
[M+Na-2H]- 306.96133 159.8
[M]+ 285.98611 160.1
[M]- 285.98721 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe